[1-(3-chlorophenyl)-2-nitro-ethyl] N-[4-(diethylamino)-2-methyl-phenyl]carbamate

Systemtic Name: [1-(3-chlorophenyl)-2-nitro-ethyl] N-[4-(diethylamino)-2-methyl-phenyl]carbamate Openeye Name: [1-(3-chlorophenyl)-2-nitro-ethyl] N-[4-(diethylamino)-2-methyl-phenyl]carbamate CAS Name: N-[4-(diethylamino)-2-methylphenyl]carbamic acid [1-(3-chlorophenyl)-2-nitroethyl] ester IUPAC Name: [1-(3-chlorophenyl)-2-nitroethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]carbamic acid [1-(3-chlorophenyl)-2-nitro-ethyl] ester Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)OC(C[N+](=O)[O-])C2=CC(=CC=C2)Cl)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)OC(C[N+](=O)[O-])C2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C20H24ClN3O4/c1-4-23(5-2)17-9-10-18(14(3)11-17)22-20(25)28-19(13-24(26)27)15-7-6-8-16(21)12-15/h6-12,19H,4-5,13H2,1-3H3,(H,22,25)